Compound Detail
CHEMBL473882
ENTECAVIR TRIPHOSPHATE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C1[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21
Basic Information
| ChEMBL ID | CHEMBL473882 |
| Name | ENTECAVIR TRIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTWBIZVVFNIRSF-HAFWLYHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
503.2
MW (Da)
-0.72
ALogP
12
HBA
7
HBD
269.6
PSA (Ų)
0.18
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | IC50 | = | 0.43 | nM | 9.37 | Antiviral activity against Hepatitis B virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine